Molecular orbital

Results: 277



#Item
211X-ray absorption spectroscopy / Ligand K-edge / Metallic bond / Chemical bond / Molecular orbital / Covalent bond / Ligand / Coordination complex / Atomic orbital / Chemistry / Chemical bonding / Organometallic chemistry

CHEMISTRY PUBLISHED BY THE ADVANCED LIGHT SOURCE COMMUNICATIONS GROUP Covalent Bonding in Actinide Sandwich Molecules Glenn Seaborg was one of

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Source URL: www-als.lbl.gov

Language: English
212Inorganic chemistry / Transition metals / Organometallic chemistry / Ligand / Pi backbonding / Non-innocent ligand / Atomic orbital / Coordination complex / Molecular orbital / Chemistry / Chemical bonding / Coordination chemistry

Outline I. Introduction Noninnocence: an Illustrative Example Understanding Noninnocence Remedying a Misconception Trends and Examples

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Source URL: stoltz.caltech.edu

Language: English - Date: 2010-04-15 21:11:40
213Quantum chemistry / Molecular physics / Chemical bonding / Theoretical chemistry / Electron configuration / Atomic orbital / Electron / Auger effect / Ionization / Chemistry / Physics / Atomic physics

INSTITUTE OF PHYSICS PUBLISHING JOURNAL OF PHYSICS B: ATOMIC, MOLECULAR AND OPTICAL PHYSICS J. Phys. B: At. Mol. Opt. Phys[removed]–150

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Source URL: adatbank.transindex.ro

Language: English - Date: 2006-11-30 07:06:51
214Crystal / Orbital hybridisation / Chemical bond / Molecular geometry / Erich Hückel / Chemistry / Quantum chemistry / Chemical bonding

J . Am. Chem. SOC.1986, 108, [removed]Acknowledgment. Initial parts of this work were supported by the Department of Energy (Contract No. DE-AM03-76SF00767; Project Agreement No. DE-AT03-80ER10608), and completion of t

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Source URL: www.carbonsolution.com

Language: English - Date: 2013-12-16 12:44:16
215Molecular physics / Nuclear magnetic resonance / Spectroscopy / Theoretical chemistry / Computational chemistry / Spartan / Nuclear magnetic resonance spectroscopy / Molecular orbital / Force field / Chemistry / Science / Physics

METHODS iSpartan uses molecular mechanics based on the Merck Molecular Force Field (MMFF) for 2D→3D conversion and for conformational searching.1 Except for the heat of formation, quantum chemical results obtained eith

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Source URL: www.wavefun.com

Language: English - Date: 2014-03-28 15:00:57
216Quantum chemistry / Orbital hybridisation / Trigonal planar molecular geometry / Dihedral angle / Angle / Crystal / Chemistry / Chemical bonding / Stereochemistry

4164 J. Phys. Chem. A 2001, 105, [removed]COMMENTS Comment on the Relationship of the

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Source URL: www.carbonsolution.com

Language: English - Date: 2013-04-28 15:39:50
217Robert Burns Woodward / Houk / Arthur C. Cope Award / Torquoselectivity / Organic reaction / Chemist / Roald Hoffmann / Frontier molecular orbital theory / 1 / 3-Dipolar cycloaddition / Chemistry / Kendall Houk / Quantum chemistry

Arthur C. Cope Award: Kendall N. Houk | Awards | Chemical ... http://pubs.acs.org/isubscribe/journals/cen/88/i08/html/8808awa...

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Source URL: www.chem.ucla.edu

Language: English - Date: 2010-03-31 18:46:35
218Computational chemistry / Theoretical chemistry / Atomic physics / Antibonding / Tight binding / Chemical bond / Atomic orbital / Basis set / Molecular dynamics / Chemistry / Quantum chemistry / Chemical bonding

Lecture notes on Tight-Binding Molecular Dynamics, and Tight-Binding justification of classical potentials Furio Ercolessi

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Source URL: www.fisica.uniud.it

Language: English - Date: 2010-11-03 19:11:39
219Molecular physics / Theoretical chemistry / Computational chemistry / Hückel method / Molecular orbital / Orbital hybridisation / Atomic orbital / Linear combination of atomic orbitals / Chemical bond / Chemistry / Quantum chemistry / Chemical bonding

Solve the Secular Equations: HΨ = ESΨ Outline: Introduction Extended Hückel Molecular Orbital Theory Instructions for Using the Applet Frequently Asked Questions

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Source URL: www.colby.edu

Language: English - Date: 2014-05-16 09:18:23
220MNDO / Computer file / File / Chmod / Ls / Find / Computing / MOPAC / PM3

MOPAC Molecular Orbital Calculations on Diatomics To run a molecular orbital calculation for a diatomic on a Windows or Mac system, use a text editor like Word, SimpleText, or Notepad to create the input file. An example

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Source URL: www.colby.edu

Language: English - Date: 2014-03-28 16:18:34
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